2-amino-7-benzyl-3H-pteridin-4-one

C13H11N5O — CID 135822639

IUPAC2-amino-7-benzyl-3H-pteridin-4-one
SMILESNc1nc2nc(Cc3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C13H11N5O/c14-13-17-11-10(12(19)18-13)15-7-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,16,17,18,19)
InChIKeyYSTLGGKZMZZCDF-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-7-benzyl-3H-pteridin-4-one

2-amino-7-benzyl-3H-pteridin-4-one (PubChem CID 135822639) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-amino-7-benzyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-7-benzyl-3H-pteridin-4-one
PubChem CID135822639
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-amino-7-benzyl-3H-pteridin-4-one
SMILESNc1nc2nc(Cc3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C13H11N5O/c14-13-17-11-10(12(19)18-13)15-7-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,16,17,18,19)
InChIKeyYSTLGGKZMZZCDF-UHFFFAOYSA-N
XLogP0.89
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
CID 135840208
6-benzyl-2-sulfanylidene-1H-pteridin-4-one
CID 163721374
4-[(2-amino-4-oxo-3H-pteridin-7-yl)methylamino]benzamide
CID 137013245
(2S)-2-[[2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 135566777
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-amino-4-benzyl-5-(2-hydroxypropyl)-1H-pyrimidin-6-one
CID 135459458
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-amino-5-benzyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732162

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-benzyl-3H-pteridin-4-one?
The IUPAC name of 2-amino-7-benzyl-3H-pteridin-4-one (CID 135822639) is 2-amino-7-benzyl-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-7-benzyl-3H-pteridin-4-one?
The canonical SMILES for 2-amino-7-benzyl-3H-pteridin-4-one is Nc1nc2nc(Cc3ccccc3)cnc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-benzyl-3H-pteridin-4-one?
The InChIKey is YSTLGGKZMZZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-13-17-11-10(12(19)18-13)15-7-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,16,17,18,19).
What are the key properties of 2-amino-7-benzyl-3H-pteridin-4-one?
2-amino-7-benzyl-3H-pteridin-4-one has a molecular weight of 253.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-benzyl-3H-pteridin-4-one is sourced from PubChem (CID 135822639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).